1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one

C31H32FN7O3 — CID 149477618

IUPAC1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(O)CC6)cn5)[nH]c34)cc2F)no1
InChIInChI=1S/C31H32FN7O3/c1-31(2,3)30-37-28(38-42-30)25(41)9-6-18-4-5-19(16-23(18)32)22-10-13-33-29-26(22)35-27(36-29)24-8-7-20(17-34-24)39-14-11-21(40)12-15-39/h4-5,7-8,10,13,16-17,21,40H,6,9,11-12,14-15H2,1-3H3,(H,33,35,36)
InChIKeyZCPMGRFXFMDOHD-UHFFFAOYSA-N
MW569.64 g/mol
LogP5.28
Rot. Bonds7

About 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one

1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (PubChem CID 149477618) has the molecular formula C31H32FN7O3 and a molecular weight of 569.64 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
PubChem CID149477618
Molecular FormulaC31H32FN7O3
Molecular Weight569.64 g/mol
Exact Mass569.26
IUPAC Name1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
SMILESCC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(O)CC6)cn5)[nH]c34)cc2F)no1
InChIInChI=1S/C31H32FN7O3/c1-31(2,3)30-37-28(38-42-30)25(41)9-6-18-4-5-19(16-23(18)32)22-10-13-33-29-26(22)35-27(36-29)24-8-7-20(17-34-24)39-14-11-21(40)12-15-39/h4-5,7-8,10,13,16-17,21,40H,6,9,11-12,14-15H2,1-3H3,(H,33,35,36)
InChIKeyZCPMGRFXFMDOHD-UHFFFAOYSA-N
XLogP5.28
TPSA133.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.64
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one with MolForge

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Related Compounds

US11098041, Example 28
CID 121249953
US11098041, Example 83
CID 121249686
US11098041, Example 134
CID 121249689
US11098041, Example 86
CID 121249696
US11098041, Example 85
CID 121249704
US11098041, Example 143
CID 121249708
US11098041, Example 162
CID 121249710
US11098041, Example 71
CID 121249741
US11098041, Example 136
CID 121249744
US11098041, Example 30
CID 121249763
US11098041, Example 157
CID 121249770
US11098041, Example 27
CID 121249771

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (CID 149477618) is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(O)CC6)cn5)[nH]c34)cc2F)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
The InChIKey is ZCPMGRFXFMDOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O3/c1-31(2,3)30-37-28(38-42-30)25(41)9-6-18-4-5-19(16-23(18)32)22-10-13-33-29-26(22)35-27(36-29)24-8-7-20(17-34-24)39-14-11-21(40)12-15-39/h4-5,7-8,10,13,16-17,21,40H,6,9,11-12,14-15H2,1-3H3,(H,33,35,36).
What are the key properties of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?
1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one has a molecular weight of 569.64 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is sourced from PubChem (CID 149477618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).